ProjektR - zaawansowana eksploracja danych

Spis teści

Podsumowanie projektu
Wykorzystane biblioteki
Wczytanie danych
Filtracja danych, usunięcie części danych na podstawie kolumn res_name
Przetworzenie brakujących danych
Podsumowanie zbioru i generacja statystyk
50 najpopularniejszych wartości klasy res_name
Korelacja między zmiennymi
Określenie liczności każdej klasy res_name
Wykresy liczby atomów i elektronów
10 klas z największą niezgodnością liczby atomów i 10 klas z największą niezgodnością liczby elektronów
Rozkład wartości wszystkich kolumn
Regresja oszacowana na podstawie miar R^2 i RMSE
Klasyfikator przewidujący wartość atrybutu res_name

1. Podsumowanie projektu

2. Wykorzystane biblioteki

set.seed(42)
library(knitr)
library(ggplot2)
library(caret)
library(ggcorrplot)
library(dplyr)

3. Wczytanie danych

Dane zostają zaczytane, poszczególnym komlumną wyznaczone są typy danych na podstawie wstępnego wczytania próbki danych.

initial <- read.csv(file = "sample_data2.csv", nrows = 1000, sep = ';',  header = TRUE)
classes <- sapply(initial, class)
data <- read.csv("sample_data2.csv", sep = ";", comment.char = "", header = TRUE, na.strings = c('NAN'),blank.lines.skip = TRUE)

4. Filtracja danych, usunięcie części danych na podstawie kolumn res_name

Zbudowany został wektor v_rm który posłużył do usunięcia części danych, odfiltrowanie wartości z tego wektora odbyło się względem kolumny res_name.

v_rm <- c("UNK", "UNX", "UNL", "DUM", "N", "BLOB", "ALA", "ARG", "ASN", "ASP", "CYS", "GLN", "GLU", "GLY", "HIS", "ILE", "LEU", "LYS", "MET", "MSE", "PHE", "PRO", "SEC", "SER", "THR", "TRP", "TYR", "VAL", "DA", "DG", "DT", "DC", "DU", "A", "G", "T", "C", "U", "HOH", "H20", "WAT", "XCC")

data_exclude_some_res_names <- data %>% filter(!is.na(res_name), !is.nan(res_name),!res_name %in% v_rm)

5. Przetworzenie brakujących danych

data_exclude_some_res_names_1 <- data_exclude_some_res_names  %>% select(-skeleton_data)
data_without_missing_val <- data_exclude_some_res_names_1 %>% replace(is.na(.), 0)
data_without_missing_val_distinct <- data_without_missing_val %>% distinct(pdb_code, res_name)

6. Podsumowanie zbioru i generacja statystyk

kable(summary(data_without_missing_val))

blob_coverage	res_coverage	title	pdb_code	res_name	res_id	chain_id	blob_volume_coverage	blob_volume_coverage_second	res_volume_coverage	res_volume_coverage_second	local_res_atom_count	local_res_atom_non_h_count	local_res_atom_non_h_occupancy_sum	local_res_atom_non_h_electron_sum	local_res_atom_non_h_electron_occupancy_sum	local_res_atom_C_count	local_res_atom_N_count	local_res_atom_O_count	local_res_atom_S_count	dict_atom_non_h_count	dict_atom_non_h_electron_sum	dict_atom_C_count	dict_atom_N_count	dict_atom_O_count	dict_atom_S_count	skeleton_cycle_4	skeleton_diameter	skeleton_cycle_6	skeleton_cycle_7	skeleton_closeness_006_008	skeleton_closeness_002_004	skeleton_cycle_3	skeleton_avg_degree	skeleton_closeness_004_006	skeleton_closeness_010_012	skeleton_closeness_012_014	skeleton_edges	skeleton_radius	skeleton_cycle_8_plus	skeleton_closeness_020_030	skeleton_deg_5_plus	skeleton_closeness_016_018	skeleton_closeness_008_010	skeleton_closeness_018_020	skeleton_average_clustering	skeleton_closeness_040_050	skeleton_closeness_014_016	skeleton_center	skeleton_closeness_000_002	skeleton_density	skeleton_closeness_030_040	skeleton_deg_4	skeleton_deg_0	skeleton_deg_1	skeleton_deg_2	skeleton_deg_3	skeleton_graph_clique_number	skeleton_nodes	skeleton_cycles	skeleton_cycle_5	skeleton_closeness_050_plus	skeleton_periphery	local_volume	local_electrons	local_mean	local_std	local_min	local_max	local_max_over_std	local_skewness	local_cut_by_mainchain_volume	local_near_cut_count_C	local_near_cut_count_other	local_near_cut_count_S	local_near_cut_count_O	local_near_cut_count_N	part_00_shape_segments_count	part_00_density_segments_count	part_00_volume	part_00_electrons	part_00_mean	part_00_std	part_00_max	part_00_max_over_std	part_00_skewness	part_00_parts	part_00_shape_O3	part_00_shape_O4	part_00_shape_O5	part_00_shape_FL	part_00_shape_O3_norm	part_00_shape_O4_norm	part_00_shape_O5_norm	part_00_shape_FL_norm	part_00_shape_I1	part_00_shape_I2	part_00_shape_I3	part_00_shape_I4	part_00_shape_I5	part_00_shape_I6	part_00_shape_I1_norm	part_00_shape_I2_norm	part_00_shape_I3_norm	part_00_shape_I4_norm	part_00_shape_I5_norm	part_00_shape_I6_norm	part_00_shape_M000	part_00_shape_CI	part_00_shape_E3_E1	part_00_shape_E2_E1	part_00_shape_E3_E2	part_00_shape_sqrt_E1	part_00_shape_sqrt_E2	part_00_shape_sqrt_E3	part_00_density_O3	part_00_density_O4	part_00_density_O5	part_00_density_FL	part_00_density_O3_norm	part_00_density_O4_norm	part_00_density_O5_norm	part_00_density_FL_norm	part_00_density_I1	part_00_density_I2	part_00_density_I3	part_00_density_I4	part_00_density_I5	part_00_density_I6	part_00_density_I1_norm	part_00_density_I2_norm	part_00_density_I3_norm	part_00_density_I4_norm	part_00_density_I5_norm	part_00_density_I6_norm	part_00_density_M000	part_00_density_CI	part_00_density_E3_E1	part_00_density_E2_E1	part_00_density_E3_E2	part_00_density_sqrt_E1	part_00_density_sqrt_E2	part_00_density_sqrt_E3	part_00_shape_Z_7_3	part_00_shape_Z_0_0	part_00_shape_Z_7_0	part_00_shape_Z_7_1	part_00_shape_Z_3_0	part_00_shape_Z_5_2	part_00_shape_Z_6_1	part_00_shape_Z_3_1	part_00_shape_Z_6_0	part_00_shape_Z_2_1	part_00_shape_Z_6_3	part_00_shape_Z_2_0	part_00_shape_Z_6_2	part_00_shape_Z_5_0	part_00_shape_Z_5_1	part_00_shape_Z_4_2	part_00_shape_Z_1_0	part_00_shape_Z_4_1	part_00_shape_Z_7_2	part_00_shape_Z_4_0	part_00_density_Z_7_3	part_00_density_Z_0_0	part_00_density_Z_7_0	part_00_density_Z_7_1	part_00_density_Z_3_0	part_00_density_Z_5_2	part_00_density_Z_6_1	part_00_density_Z_3_1	part_00_density_Z_6_0	part_00_density_Z_2_1	part_00_density_Z_6_3	part_00_density_Z_2_0	part_00_density_Z_6_2	part_00_density_Z_5_0	part_00_density_Z_5_1	part_00_density_Z_4_2	part_00_density_Z_1_0	part_00_density_Z_4_1	part_00_density_Z_7_2	part_00_density_Z_4_0	part_01_shape_segments_count	part_01_density_segments_count	part_01_volume	part_01_electrons	part_01_mean	part_01_std	part_01_max	part_01_max_over_std	part_01_skewness	part_01_parts	part_01_shape_O3	part_01_shape_O4	part_01_shape_O5	part_01_shape_FL	part_01_shape_O3_norm	part_01_shape_O4_norm	part_01_shape_O5_norm	part_01_shape_FL_norm	part_01_shape_I1	part_01_shape_I2	part_01_shape_I3	part_01_shape_I4	part_01_shape_I5	part_01_shape_I6	part_01_shape_I1_norm	part_01_shape_I2_norm	part_01_shape_I3_norm	part_01_shape_I4_norm	part_01_shape_I5_norm	part_01_shape_I6_norm	part_01_shape_M000	part_01_shape_CI	part_01_shape_E3_E1	part_01_shape_E2_E1	part_01_shape_E3_E2	part_01_shape_sqrt_E1	part_01_shape_sqrt_E2	part_01_shape_sqrt_E3	part_01_density_O3	part_01_density_O4	part_01_density_O5	part_01_density_FL	part_01_density_O3_norm	part_01_density_O4_norm	part_01_density_O5_norm	part_01_density_FL_norm	part_01_density_I1	part_01_density_I2	part_01_density_I3	part_01_density_I4	part_01_density_I5	part_01_density_I6	part_01_density_I1_norm	part_01_density_I2_norm	part_01_density_I3_norm	part_01_density_I4_norm	part_01_density_I5_norm	part_01_density_I6_norm	part_01_density_M000	part_01_density_CI	part_01_density_E3_E1	part_01_density_E2_E1	part_01_density_E3_E2	part_01_density_sqrt_E1	part_01_density_sqrt_E2	part_01_density_sqrt_E3	part_01_shape_Z_7_3	part_01_shape_Z_0_0	part_01_shape_Z_7_0	part_01_shape_Z_7_1	part_01_shape_Z_3_0	part_01_shape_Z_5_2	part_01_shape_Z_6_1	part_01_shape_Z_3_1	part_01_shape_Z_6_0	part_01_shape_Z_2_1	part_01_shape_Z_6_3	part_01_shape_Z_2_0	part_01_shape_Z_6_2	part_01_shape_Z_5_0	part_01_shape_Z_5_1	part_01_shape_Z_4_2	part_01_shape_Z_1_0	part_01_shape_Z_4_1	part_01_shape_Z_7_2	part_01_shape_Z_4_0	part_01_density_Z_7_3	part_01_density_Z_0_0	part_01_density_Z_7_0	part_01_density_Z_7_1	part_01_density_Z_3_0	part_01_density_Z_5_2	part_01_density_Z_6_1	part_01_density_Z_3_1	part_01_density_Z_6_0	part_01_density_Z_2_1	part_01_density_Z_6_3	part_01_density_Z_2_0	part_01_density_Z_6_2	part_01_density_Z_5_0	part_01_density_Z_5_1	part_01_density_Z_4_2	part_01_density_Z_1_0	part_01_density_Z_4_1	part_01_density_Z_7_2	part_01_density_Z_4_0	part_02_shape_segments_count	part_02_density_segments_count	part_02_volume	part_02_electrons	part_02_mean	part_02_std	part_02_max	part_02_max_over_std	part_02_skewness	part_02_parts	part_02_shape_O3	part_02_shape_O4	part_02_shape_O5	part_02_shape_FL	part_02_shape_O3_norm	part_02_shape_O4_norm	part_02_shape_O5_norm	part_02_shape_FL_norm	part_02_shape_I1	part_02_shape_I2	part_02_shape_I3	part_02_shape_I4	part_02_shape_I5	part_02_shape_I6	part_02_shape_I1_norm	part_02_shape_I2_norm	part_02_shape_I3_norm	part_02_shape_I4_norm	part_02_shape_I5_norm	part_02_shape_I6_norm	part_02_shape_M000	part_02_shape_CI	part_02_shape_E3_E1	part_02_shape_E2_E1	part_02_shape_E3_E2	part_02_shape_sqrt_E1	part_02_shape_sqrt_E2	part_02_shape_sqrt_E3	part_02_density_O3	part_02_density_O4	part_02_density_O5	part_02_density_FL	part_02_density_O3_norm	part_02_density_O4_norm	part_02_density_O5_norm	part_02_density_FL_norm	part_02_density_I1	part_02_density_I2	part_02_density_I3	part_02_density_I4	part_02_density_I5	part_02_density_I6	part_02_density_I1_norm	part_02_density_I2_norm	part_02_density_I3_norm	part_02_density_I4_norm	part_02_density_I5_norm	part_02_density_I6_norm	part_02_density_M000	part_02_density_CI	part_02_density_E3_E1	part_02_density_E2_E1	part_02_density_E3_E2	part_02_density_sqrt_E1	part_02_density_sqrt_E2	part_02_density_sqrt_E3	part_02_shape_Z_7_3	part_02_shape_Z_0_0	part_02_shape_Z_7_0	part_02_shape_Z_7_1	part_02_shape_Z_3_0	part_02_shape_Z_5_2	part_02_shape_Z_6_1	part_02_shape_Z_3_1	part_02_shape_Z_6_0	part_02_shape_Z_2_1	part_02_shape_Z_6_3	part_02_shape_Z_2_0	part_02_shape_Z_6_2	part_02_shape_Z_5_0	part_02_shape_Z_5_1	part_02_shape_Z_4_2	part_02_shape_Z_1_0	part_02_shape_Z_4_1	part_02_shape_Z_7_2	part_02_shape_Z_4_0	part_02_density_Z_7_3	part_02_density_Z_0_0	part_02_density_Z_7_0	part_02_density_Z_7_1	part_02_density_Z_3_0	part_02_density_Z_5_2	part_02_density_Z_6_1	part_02_density_Z_3_1	part_02_density_Z_6_0	part_02_density_Z_2_1	part_02_density_Z_6_3	part_02_density_Z_2_0	part_02_density_Z_6_2	part_02_density_Z_5_0	part_02_density_Z_5_1	part_02_density_Z_4_2	part_02_density_Z_1_0	part_02_density_Z_4_1	part_02_density_Z_7_2	part_02_density_Z_4_0	fo_col	fc_col	weight_col	grid_space	solvent_radius	solvent_opening_radius	resolution_max_limit	resolution	FoFc_mean	FoFc_std	FoFc_square_std	FoFc_min	FoFc_max	part_step_FoFc_std_min	part_step_FoFc_std_max	part_step_FoFc_std_step
‘{GOL:A:501:0: 100.0}’: 2	‘{017:B:201:2: 45.9}’: 1	3th1 3PH 302 A: 6	4n4o : 58	SO4 : 214	Min. : 0.0	A :1068	Min. :0.02837	Min. :0.00000	Min. :0.006154	Min. :0.00000	Min. : 1.00	Min. : 1.00	Min. :-7.38	Min. : 7.0	Min. :-45.91	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. :0.0000	Min. : 0.00	Min. : 0.0	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. :0.0000	Min. : 0.000	Min. : 0.00	Min. : 0.00000	Min. : 0.00000	Min. : 0.000	Min. : 0.00000	Min. : 0.0000	Min. :0.000	Min. : 0.0000	Min. : 0.000	Min. : 0.000	Min. : 0.00	Min. : 0.00	Min. : 0.0000	Min. : 0.00	Min. : 0.000	Min. : 0.00	Min. : 0.00	Min. : 0.000	Min. :0.0000000	Min. : 0.000	Min. : 0.000	Min. : 1.000	Min. :0.0000	Min. :0.00000	Min. : 0.000	Min. : 0.0000	Min. :0.0000	Min. : 0.000	Min. : 0.00	Min. : 0.000	Min. :1.000	Min. : 1.00	Min. : 0.000	Min. : 0.0000	Min. : 0.000	Min. : 1	Min. : 97.34	Min. : 0.3611	Min. :0.00194	Min. :0.01680	Min. :0	Min. : 0.1087	Min. : 3.125	Min. :0.02982	Min. : 0.000	Min. : 0.000	Min. :0.00000	Min. :0.0000	Min. : 0.000	Min. : 0.000	Min. : 1.0	Min. : 1.0	Min. : 2.048	Min. : 0.3611	Min. :0.09946	Min. :0.003911	Min. : 0.1087	Min. : 3.125	Min. :0.00297	Min. : 1.000	Min. : 2507	Min. :2.028e+06	Min. :5.290e+08	Min. :1.909e+05	Min. :0.2311	Min. :0.01780	Min. :0.0004538	Min. : 0.000003	Min. :3.031e+04	Min. :2.302e+08	Min. :2.168e+08	Min. :7.791e+04	Min. :8.760e+02	Min. :2.698e+07	Min. : 0.06365	Min. : 0.001080	Min. : 0.00081	Min. :0.000001	Min. :0.000000	Min. : 0.004909	Min. : 256.0	Min. :-36.83657	Min. :0.01306	Min. :0.02143	Min. :0.0328	Min. : 1.948	Min. : 1.234	Min. :1.045	Min. : 474	Min. :6.556e+04	Min. :2.775e+06	Min. :6.632e+03	Min. :0.05486	Min. :0.00097	Min. :0.0000056	Min. : 0.00000	Min. :6.149e+03	Min. :8.129e+06	Min. :9.397e+06	Min. :2.778e+03	Min. :2.090e+02	Min. :1.110e+06	Min. : 0.00494	Min. : 0.0000	Min. : 0.000	Min. : 0.00000	Min. : 0.00000	Min. : 0.0001	Min. : 45.14	Min. :-43.45620	Min. :0.01298	Min. :0.0206	Min. :0.04059	Min. : 1.841	Min. : 1.223	Min. :1.031	Min. : 8.044	Min. : 7.818	Min. : 2.383	Min. : 5.575	Min. : 1.720	Min. : 6.214	Min. : 3.01	Min. : 4.066	Min. : 0.2346	Min. : 6.703	Min. : 6.003	Min. : 4.133	Min. : 4.718	Min. : 1.590	Min. : 5.021	Min. : 6.142	Min. :0.9579	Min. : 4.086	Min. : 7.096	Min. : 0.1017	Min. : 5.981	Min. : 3.283	Min. : 2.147	Min. : 4.493	Min. : 1.258	Min. : 4.702	Min. : 1.747	Min. : 3.024	Min. : 0.2125	Min. : 4.008	Min. : 3.038	Min. : 2.865	Min. : 2.669	Min. : 1.016	Min. : 3.849	Min. : 2.984	Min. :0.9125	Min. : 1.928	Min. : 5.110	Min. : 0.2787	Min. : 0.0	Min. : 0.0	Min. : 0.00	Min. : 0.000	Min. :0.0000	Min. :0.00000	Min. : 0.0000	Min. : 0.000	Min. :0.00000	Min. : 0.000	Min. : 0	Min. :0.000e+00	Min. :0.000e+00	Min. :0.000e+00	Min. :0.0000	Min. :0.00000	Min. :0.0000000	Min. : 0.000000	Min. :0.000e+00	Min. :0.000e+00	Min. :0.000e+00	Min. :0.000e+00	Min. :0.000e+00	Min. :0.000e+00	Min. : 0.00000	Min. : 0.000000	Min. : 0.0000	Min. : 0.000000	Min. : 0.000000	Min. : 0.00000	Min. : 0.0	Min. :-46.43273	Min. :0.00000	Min. :0.0000	Min. :0.0000	Min. : 0.000	Min. : 0.000	Min. :0.000	Min. : 0	Min. :0.000e+00	Min. :0.000e+00	Min. :0.000e+00	Min. :0.0000	Min. :0.00000	Min. :0.000000	Min. : 0.00000	Min. :0.000e+00	Min. :0.000e+00	Min. :0.000e+00	Min. :0.000e+00	Min. :0.000e+00	Min. :0.000e+00	Min. : 0.0000	Min. : 0.0000	Min. : 0.000	Min. : 0.00000	Min. : 0.00000	Min. : 0.0000	Min. : 0.0	Min. :-51.40627	Min. :0.00000	Min. :0.0000	Min. :0.0000	Min. : 0.000	Min. : 0.000	Min. :0.000	Min. : 0.00	Min. : 0.00	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.00	Min. : 0.00	Min. : 0.000	Min. : 0.000	Min. : 0.00	Min. : 0.00	Min. : 0.00	Min. : 0.00	Min. : 0.000	Min. : 0.000	Min. : 0.00	Min. :0.000	Min. : 0.00	Min. : 0.00	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.00	Min. : 0.000	Min. : 0.000	Min. : 0.00	Min. : 0.000	Min. : 0.00	Min. : 0.00	Min. :0.000	Min. : 0.000	Min. : 0.000	Min. : 0.00	Min. : 0.0	Min. : 0.0	Min. : 0.000	Min. : 0.000	Min. :0.0000	Min. :0.00000	Min. : 0.0000	Min. : 0.000	Min. :0.00000	Min. : 0.0	Min. : 0	Min. :0.000e+00	Min. :0.000e+00	Min. :0.000e+00	Min. : 0.0000	Min. :0.00000	Min. :0.0000000	Min. : 0.00000	Min. :0.000e+00	Min. :0.000e+00	Min. :0.000e+00	Min. :0.000e+00	Min. :0.000e+00	Min. :0.000e+00	Min. : 0.00000	Min. : 0.0000	Min. : 0.00	Min. : 0.00000	Min. : 0.00000	Min. : 0.0000	Min. : 0.0	Min. :-52.53847	Min. :0.00000	Min. :0.0000	Min. :0.0000	Min. : 0.000	Min. : 0.000	Min. :0.000	Min. : 0	Min. :0.000e+00	Min. :0.000e+00	Min. :-3.000e+00	Min. : 0.0000	Min. :0.00000	Min. :0.0000000	Min. : -0.00013	Min. :0.000e+00	Min. :0.000e+00	Min. :0.000e+00	Min. :-1.000e+00	Min. :0.000e+00	Min. :0.000e+00	Min. : 0.0000	Min. : 0.000	Min. : 0.0	Min. : -0.00003	Min. : 0.00000	Min. : 0.000	Min. : 0.0	Min. :-55.31047	Min. :0.00000	Min. :0.0000	Min. :0.0000	Min. : 0.000	Min. : 0.000	Min. :0.000	Min. : 0.00	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.00	Min. : 0.00	Min. : 0.000	Min. : 0.00	Min. : 0.000	Min. : 0.00	Min. : 0.000	Min. :0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.00	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.00	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	Min. :0.000	Min. : 0.000	Min. : 0.000	Min. : 0.000	DELFWT:1995	PHDELWT:1995	Min. :0	Min. :0.2	Min. :1.9	Min. :1.4	Min. :1	Min. :0.8697	Min. :-6.051e-08	Min. :0.03330	Min. :0.001109	Min. :-2.4216	Min. : 0.2261	Min. :2.8	Min. :4.05	Min. :0.5
‘{017:B:201:2: 76.1}’ : 1	‘{11C:A:367:0: 17.4}’: 1	3th1 3PH 302 B: 6	5gmh : 48	GOL : 118	1st Qu.: 301.0	B : 457	1st Qu.:0.45801	1st Qu.:0.00000	1st Qu.:0.261512	1st Qu.:0.00000	1st Qu.: 4.00	1st Qu.: 4.00	1st Qu.: 3.00	1st Qu.: 36.0	1st Qu.: 30.00	1st Qu.: 0.000	1st Qu.: 0.000	1st Qu.: 1.000	1st Qu.:0.0000	1st Qu.: 3.00	1st Qu.: 30.0	1st Qu.: 0.000	1st Qu.: 0.000	1st Qu.: 1.000	1st Qu.:0.0000	1st Qu.: 0.000	1st Qu.: 2.00	1st Qu.: 0.00000	1st Qu.: 0.00000	1st Qu.: 0.000	1st Qu.: 0.00000	1st Qu.: 0.0000	1st Qu.:1.333	1st Qu.: 0.0000	1st Qu.: 0.000	1st Qu.: 0.000	1st Qu.: 2.00	1st Qu.: 1.00	1st Qu.: 0.0000	1st Qu.: 0.00	1st Qu.: 0.000	1st Qu.: 0.00	1st Qu.: 0.00	1st Qu.: 0.000	1st Qu.:0.0000000	1st Qu.: 0.000	1st Qu.: 0.000	1st Qu.: 1.000	1st Qu.:0.0000	1st Qu.:0.02307	1st Qu.: 0.000	1st Qu.: 0.0000	1st Qu.:0.0000	1st Qu.: 2.000	1st Qu.: 1.00	1st Qu.: 0.000	1st Qu.:2.000	1st Qu.: 3.00	1st Qu.: 0.000	1st Qu.: 0.0000	1st Qu.: 0.000	1st Qu.: 2	1st Qu.: 214.48	1st Qu.: 3.4457	1st Qu.:0.01231	1st Qu.:0.06900	1st Qu.:0	1st Qu.: 0.5668	1st Qu.: 5.266	1st Qu.:0.12169	1st Qu.: 0.000	1st Qu.: 0.000	1st Qu.:0.00000	1st Qu.:0.0000	1st Qu.: 0.000	1st Qu.: 0.000	1st Qu.: 5.0	1st Qu.: 5.0	1st Qu.: 7.020	1st Qu.: 3.4377	1st Qu.:0.36300	1st Qu.:0.063029	1st Qu.: 0.5668	1st Qu.: 5.266	1st Qu.:0.05331	1st Qu.: 1.000	1st Qu.: 28632	1st Qu.:1.953e+08	1st Qu.:3.839e+11	1st Qu.:1.120e+09	1st Qu.:0.2667	1st Qu.:0.02138	1st Qu.:0.0005098	1st Qu.: 0.000606	1st Qu.:1.360e+06	1st Qu.:2.515e+11	1st Qu.:7.600e+11	1st Qu.:5.576e+08	1st Qu.:8.249e+07	1st Qu.:1.835e+10	1st Qu.: 0.09541	1st Qu.: 0.001871	1st Qu.: 0.00284	1st Qu.:0.000274	1st Qu.:0.000035	1st Qu.: 0.010208	1st Qu.: 877.5	1st Qu.: -0.85560	1st Qu.:0.08851	1st Qu.:0.22085	1st Qu.:0.3650	1st Qu.: 4.080	1st Qu.: 2.620	1st Qu.:2.007	1st Qu.: 12946	1st Qu.:3.947e+07	1st Qu.:3.365e+10	1st Qu.:1.565e+08	1st Qu.:0.38890	1st Qu.:0.04490	1st Qu.:0.0014202	1st Qu.: 0.00200	1st Qu.:5.894e+05	1st Qu.:4.961e+10	1st Qu.:1.466e+11	1st Qu.:8.706e+07	1st Qu.:1.784e+07	1st Qu.:3.451e+09	1st Qu.: 0.22331	1st Qu.: 0.0098	1st Qu.: 0.016	1st Qu.: 0.00097	1st Qu.: 0.00017	1st Qu.: 0.0347	1st Qu.: 429.71	1st Qu.: -0.89891	1st Qu.:0.08434	1st Qu.:0.2192	1st Qu.:0.36053	1st Qu.: 3.814	1st Qu.: 2.487	1st Qu.:1.921	1st Qu.: 15.830	1st Qu.:14.474	1st Qu.: 6.475	1st Qu.: 9.838	1st Qu.: 5.976	1st Qu.: 14.585	1st Qu.: 12.37	1st Qu.: 11.465	1st Qu.: 5.7947	1st Qu.: 19.997	1st Qu.: 19.103	1st Qu.: 14.929	1st Qu.: 16.759	1st Qu.: 5.537	1st Qu.: 11.345	1st Qu.: 19.786	1st Qu.:1.2560	1st Qu.: 16.565	1st Qu.: 13.317	1st Qu.: 8.4316	1st Qu.: 10.442	1st Qu.:10.128	1st Qu.: 5.903	1st Qu.: 7.372	1st Qu.: 4.310	1st Qu.: 9.726	1st Qu.: 7.336	1st Qu.: 7.432	1st Qu.: 3.5789	1st Qu.: 14.047	1st Qu.: 11.861	1st Qu.:10.915	1st Qu.: 10.438	1st Qu.: 5.050	1st Qu.: 7.941	1st Qu.: 13.756	1st Qu.:1.2445	1st Qu.: 12.257	1st Qu.: 9.146	1st Qu.: 7.1323	1st Qu.: 3.0	1st Qu.: 3.0	1st Qu.: 4.26	1st Qu.: 2.205	1st Qu.:0.3956	1st Qu.:0.05052	1st Qu.: 0.5668	1st Qu.: 5.266	1st Qu.:0.04181	1st Qu.: 1.000	1st Qu.: 12020	1st Qu.:3.649e+07	1st Qu.:3.192e+10	1st Qu.:9.162e+07	1st Qu.:0.2584	1st Qu.:0.02028	1st Qu.:0.0004839	1st Qu.: 0.000335	1st Qu.:3.980e+05	1st Qu.:2.072e+10	1st Qu.:6.399e+10	1st Qu.:4.379e+07	1st Qu.:4.413e+06	1st Qu.:2.246e+09	1st Qu.: 0.08621	1st Qu.: 0.001602	1st Qu.: 0.0021	1st Qu.: 0.000149	1st Qu.: 0.000015	1st Qu.: 0.00868	1st Qu.: 532.5	1st Qu.: -0.65945	1st Qu.:0.08088	1st Qu.:0.2119	1st Qu.:0.3634	1st Qu.: 3.422	1st Qu.: 2.179	1st Qu.:1.702	1st Qu.: 6082	1st Qu.:9.299e+06	1st Qu.:4.300e+09	1st Qu.:2.155e+07	1st Qu.:0.3560	1st Qu.:0.03813	1st Qu.:0.001134	1st Qu.: 0.00098	1st Qu.:1.872e+05	1st Qu.:4.998e+09	1st Qu.:1.337e+10	1st Qu.:1.053e+07	1st Qu.:1.532e+06	1st Qu.:4.933e+08	1st Qu.: 0.1811	1st Qu.: 0.0067	1st Qu.: 0.010	1st Qu.: 0.00048	1st Qu.: 0.00006	1st Qu.: 0.0255	1st Qu.: 275.6	1st Qu.: -0.70111	1st Qu.:0.07793	1st Qu.:0.2122	1st Qu.:0.3665	1st Qu.: 3.240	1st Qu.: 2.096	1st Qu.:1.659	1st Qu.: 11.96	1st Qu.:11.27	1st Qu.: 6.574	1st Qu.: 8.396	1st Qu.: 4.657	1st Qu.: 10.56	1st Qu.: 9.11	1st Qu.: 8.423	1st Qu.: 4.389	1st Qu.: 14.94	1st Qu.: 13.83	1st Qu.:10.87	1st Qu.: 12.03	1st Qu.: 5.390	1st Qu.: 8.113	1st Qu.: 14.06	1st Qu.:1.286	1st Qu.: 11.42	1st Qu.: 10.25	1st Qu.: 5.694	1st Qu.: 9.106	1st Qu.: 8.112	1st Qu.: 6.238	1st Qu.: 7.373	1st Qu.: 3.955	1st Qu.: 7.858	1st Qu.: 5.831	1st Qu.: 6.155	1st Qu.: 2.879	1st Qu.: 11.15	1st Qu.: 8.892	1st Qu.: 8.578	1st Qu.: 7.64	1st Qu.: 5.118	1st Qu.: 6.55	1st Qu.: 10.02	1st Qu.:1.275	1st Qu.: 8.375	1st Qu.: 8.303	1st Qu.: 4.54	1st Qu.: 2.0	1st Qu.: 2.0	1st Qu.: 2.428	1st Qu.: 1.321	1st Qu.:0.4034	1st Qu.:0.03900	1st Qu.: 0.5468	1st Qu.: 5.266	1st Qu.:0.03102	1st Qu.: 1.0	1st Qu.: 4432	1st Qu.:5.223e+06	1st Qu.:1.820e+09	1st Qu.:2.782e+06	1st Qu.: 0.2467	1st Qu.:0.01920	1st Qu.:0.0004671	1st Qu.: 0.00014	1st Qu.:8.071e+04	1st Qu.:1.148e+09	1st Qu.:1.934e+09	1st Qu.:1.220e+06	1st Qu.:1.081e+05	1st Qu.:1.450e+08	1st Qu.: 0.07639	1st Qu.: 0.0014	1st Qu.: 0.00	1st Qu.: 0.00006	1st Qu.: 0.00000	1st Qu.: 0.0068	1st Qu.: 303.5	1st Qu.: -0.40432	1st Qu.:0.06155	1st Qu.:0.1686	1st Qu.:0.2998	1st Qu.: 2.590	1st Qu.: 1.795	1st Qu.:1.408	1st Qu.: 2394	1st Qu.:1.506e+06	1st Qu.:2.653e+08	1st Qu.: 9.560e+05	1st Qu.: 0.2885	1st Qu.:0.02522	1st Qu.:0.0006706	1st Qu.: 0.00031	1st Qu.:4.289e+04	1st Qu.:3.184e+08	1st Qu.:5.579e+08	1st Qu.: 4.287e+05	1st Qu.:4.880e+04	1st Qu.:4.264e+07	1st Qu.: 0.1175	1st Qu.: 0.003	1st Qu.: 0.0	1st Qu.: 0.00014	1st Qu.: 0.00001	1st Qu.: 0.013	1st Qu.: 165.1	1st Qu.: -0.40216	1st Qu.:0.06093	1st Qu.:0.1716	1st Qu.:0.2968	1st Qu.: 2.473	1st Qu.: 1.756	1st Qu.:1.380	1st Qu.: 10.22	1st Qu.: 8.512	1st Qu.: 6.534	1st Qu.: 8.132	1st Qu.: 4.122	1st Qu.: 8.279	1st Qu.: 6.019	1st Qu.: 6.196	1st Qu.: 2.960	1st Qu.: 10.63	1st Qu.: 9.06	1st Qu.: 7.627	1st Qu.: 7.65	1st Qu.: 5.287	1st Qu.: 6.92	1st Qu.: 9.563	1st Qu.:1.260	1st Qu.: 7.576	1st Qu.: 9.222	1st Qu.: 3.638	1st Qu.: 8.959	1st Qu.: 6.279	1st Qu.: 6.325	1st Qu.: 7.440	1st Qu.: 3.886	1st Qu.: 7.20	1st Qu.: 4.065	1st Qu.: 5.259	1st Qu.: 2.007	1st Qu.: 8.192	1st Qu.: 6.32	1st Qu.: 6.077	1st Qu.: 5.346	1st Qu.: 5.141	1st Qu.: 6.333	1st Qu.: 6.616	1st Qu.:1.251	1st Qu.: 5.178	1st Qu.: 8.259	1st Qu.: 2.477	NA	NA	1st Qu.:0	1st Qu.:0.2	1st Qu.:1.9	1st Qu.:1.4	1st Qu.:1	1st Qu.:1.8889	1st Qu.:-6.266e-11	1st Qu.:0.08992	1st Qu.:0.008085	1st Qu.:-0.8208	1st Qu.: 1.1256	1st Qu.:2.8	1st Qu.:4.05	1st Qu.:0.5
‘{11C:A:367:0: 66.8}’ : 1	‘{11C:A:367:0: 24.7}’: 1	4tqc 34J 302 A: 6	1oao : 45	NAG : 116	Median : 436.0	C : 166	Median :0.70445	Median :0.00000	Median :0.481975	Median :0.00000	Median : 7.00	Median : 7.00	Median : 6.00	Median : 55.0	Median : 48.00	Median : 4.000	Median : 0.000	Median : 4.000	Median :0.0000	Median : 6.00	Median : 54.0	Median : 3.000	Median : 0.000	Median : 4.000	Median :0.0000	Median : 0.000	Median : 14.00	Median : 0.00000	Median : 0.00000	Median : 0.000	Median : 0.00000	Median : 0.0000	Median :1.875	Median : 0.0000	Median : 0.000	Median : 0.000	Median : 14.00	Median : 7.00	Median : 0.0000	Median : 0.00	Median : 0.000	Median : 0.00	Median : 0.00	Median : 0.000	Median :0.0000000	Median : 0.000	Median : 0.000	Median : 1.000	Median :0.0000	Median :0.08696	Median : 0.000	Median : 0.0000	Median :0.0000	Median : 2.000	Median : 12.00	Median : 0.000	Median :2.000	Median : 15.00	Median : 0.000	Median : 0.0000	Median : 2.000	Median : 2	Median : 355.68	Median : 8.2668	Median :0.01915	Median :0.09758	Median :0	Median : 0.8652	Median : 7.302	Median :0.17003	Median : 0.000	Median : 3.000	Median :0.00000	Median :0.0000	Median : 1.000	Median : 1.000	Median : 27.0	Median : 27.0	Median : 16.000	Median : 8.2556	Median :0.49147	Median :0.118203	Median : 0.8652	Median : 7.302	Median :0.10791	Median : 1.000	Median : 108699	Median :2.981e+09	Median :2.426e+13	Median :4.888e+10	Median :0.3799	Median :0.03360	Median :0.0007630	Median : 0.005749	Median :9.359e+06	Median :1.400e+13	Median :3.542e+13	Median :2.734e+10	Median :8.273e+09	Median :4.759e+11	Median : 0.22560	Median : 0.006664	Median : 0.02366	Median :0.003120	Median :0.000978	Median : 0.040933	Median : 2000.0	Median : -0.00026	Median :0.17726	Median :0.40450	Median :0.5631	Median : 5.950	Median : 3.620	Median :2.665	Median : 53045	Median :7.671e+08	Median :2.769e+12	Median :9.786e+09	Median :0.61550	Median :0.09118	Median :0.0032518	Median : 0.02021	Median :3.948e+06	Median :2.469e+12	Median :6.271e+12	Median :6.054e+09	Median :2.312e+09	Median :8.920e+10	Median : 0.58556	Median : 0.0501	Median : 0.152	Median : 0.01143	Median : 0.00479	Median : 0.1713	Median : 1031.95	Median : -0.00004	Median :0.17660	Median :0.4097	Median :0.56523	Median : 5.588	Median : 3.381	Median :2.500	Median : 27.932	Median :21.851	Median : 10.205	Median : 18.246	Median :11.125	Median : 25.520	Median : 21.43	Median : 18.940	Median :10.3849	Median : 29.995	Median : 31.933	Median : 23.224	Median : 28.489	Median :12.351	Median : 21.242	Median : 32.637	Median :1.3960	Median : 27.945	Median : 24.571	Median :16.1886	Median : 20.119	Median :15.696	Median : 8.846	Median : 14.377	Median : 7.887	Median : 18.229	Median : 18.050	Median :12.904	Median : 8.5748	Median : 22.343	Median : 24.563	Median :17.653	Median : 22.776	Median : 9.990	Median : 15.805	Median : 24.303	Median :1.3813	Median : 21.757	Median : 18.297	Median :13.4650	Median : 15.0	Median : 15.0	Median : 11.79	Median : 6.668	Median :0.5377	Median :0.10558	Median : 0.8652	Median : 7.302	Median :0.09649	Median : 1.000	Median : 66253	Median :1.152e+09	Median :5.556e+12	Median :1.390e+10	Median :0.3514	Median :0.02985	Median :0.0006902	Median : 0.004400	Median :4.448e+06	Median :2.902e+12	Median :7.540e+12	Median :7.970e+09	Median :1.908e+09	Median :1.262e+11	Median : 0.19807	Median : 0.005163	Median : 0.0188	Median : 0.002430	Median : 0.000807	Median : 0.03336	Median : 1474.0	Median : -0.00002	Median :0.18397	Median :0.4195	Median :0.5769	Median : 5.255	Median : 3.268	Median :2.435	Median : 37580	Median :3.425e+08	Median :8.648e+11	Median :3.349e+09	Median :0.5700	Median :0.08047	Median :0.002843	Median : 0.01289	Median :2.261e+06	Median :8.334e+11	Median :1.886e+12	Median :1.977e+09	Median :6.986e+08	Median :3.653e+10	Median : 0.5089	Median : 0.0364	Median : 0.101	Median : 0.00758	Median : 0.00279	Median : 0.1274	Median : 833.5	Median : 0.00000	Median :0.18631	Median :0.4253	Median :0.5817	Median : 4.876	Median : 3.083	Median :2.303	Median : 22.70	Median :18.76	Median : 8.698	Median : 14.713	Median : 9.157	Median : 21.27	Median : 17.11	Median : 15.922	Median : 8.799	Median : 25.29	Median : 25.99	Median :19.15	Median : 22.73	Median : 9.954	Median : 17.163	Median : 26.60	Median :1.479	Median : 22.28	Median : 19.49	Median :12.700	Median : 16.665	Median :14.106	Median : 7.859	Median : 11.884	Median : 6.885	Median : 15.843	Median : 14.277	Median :11.365	Median : 6.699	Median : 19.59	Median : 20.446	Median :15.390	Median : 18.60	Median : 8.498	Median : 13.36	Median : 20.77	Median :1.468	Median : 18.327	Median : 14.761	Median :11.24	Median : 9.0	Median : 9.0	Median : 8.848	Median : 5.206	Median :0.5788	Median :0.09384	Median : 0.8618	Median : 7.302	Median :0.08395	Median : 1.0	Median : 39766	Median :4.253e+08	Median :1.202e+12	Median :2.790e+09	Median : 0.3015	Median :0.02465	Median :0.0005536	Median : 0.00147	Median :2.084e+06	Median :7.080e+11	Median :1.506e+12	Median :1.349e+09	Median :2.083e+08	Median :3.703e+10	Median : 0.13508	Median : 0.0028	Median : 0.01	Median : 0.00070	Median : 0.00018	Median : 0.0188	Median : 1106.0	Median : 0.00000	Median :0.17912	Median :0.4055	Median :0.5708	Median : 4.508	Median : 2.947	Median :2.204	Median : 25088	Median :1.526e+08	Median :2.642e+11	Median : 9.138e+08	Median : 0.4775	Median :0.06031	Median :0.0019618	Median : 0.00382	Median :1.212e+06	Median :2.404e+11	Median :5.288e+11	Median : 4.745e+08	Median :9.535e+07	Median :1.302e+10	Median : 0.3354	Median : 0.018	Median : 0.0	Median : 0.00196	Median : 0.00058	Median : 0.067	Median : 650.8	Median : 0.00000	Median :0.18180	Median :0.4086	Median :0.5760	Median : 4.197	Median : 2.776	Median :2.107	Median : 17.90	Median :16.249	Median : 8.268	Median : 11.465	Median : 7.003	Median : 16.832	Median : 13.667	Median :13.249	Median : 6.993	Median : 20.94	Median : 20.76	Median :15.814	Median : 18.23	Median : 7.078	Median : 13.49	Median : 20.735	Median :1.514	Median : 17.308	Median : 15.236	Median : 9.334	Median : 13.770	Median :12.465	Median : 7.935	Median : 9.809	Median : 5.647	Median : 13.13	Median : 10.392	Median : 9.902	Median : 4.957	Median : 17.042	Median : 15.93	Median :13.204	Median : 14.164	Median : 6.936	Median :10.885	Median : 17.284	Median :1.505	Median : 14.715	Median : 12.129	Median : 8.674	NA	NA	Median :0	Median :0.2	Median :1.9	Median :1.4	Median :1	Median :2.1600	Median :-1.150e-12	Median :0.11645	Median :0.013562	Median :-0.6350	Median : 1.9590	Median :2.8	Median :4.05	Median :0.5
‘{11C:A:367:0: 91.9}’ : 1	‘{11C:B:367:0: 50.2}’: 1	1jbq HEM 501 E: 4	2awe : 34	HEM : 111	Mean : 691.7	D : 104	Mean :0.64361	Mean :0.02155	Mean :0.514115	Mean :0.08193	Mean :13.94	Mean :13.79	Mean :12.99	Mean :103.1	Mean : 96.57	Mean : 7.907	Mean : 1.319	Mean : 3.721	Mean :0.2065	Mean : 13.88	Mean :103.8	Mean : 7.897	Mean : 1.275	Mean : 3.884	Mean :0.2025	Mean : 1.134	Mean : 24.76	Mean : 0.04311	Mean : 0.02506	Mean : 2.281	Mean : 0.02907	Mean : 0.3383	Mean :1.568	Mean : 0.7674	Mean : 3.494	Mean : 3.527	Mean : 38.67	Mean : 12.68	Mean : 0.7729	Mean : 5.71	Mean : 1.045	Mean : 2.47	Mean : 3.23	Mean : 2.002	Mean :0.0002918	Mean : 2.583	Mean : 3.004	Mean : 1.734	Mean :0.1118	Mean :0.22569	Mean : 3.033	Mean : 0.1444	Mean :0.1118	Mean : 3.237	Mean : 30.84	Mean : 1.837	Mean :1.896	Mean : 37.22	Mean : 2.447	Mean : 0.1333	Mean : 4.977	Mean : 2	Mean : 855.95	Mean : 18.5353	Mean :0.02422	Mean :0.12339	Mean :0	Mean : 1.3603	Mean : 10.247	Mean :0.22322	Mean : 0.462	Mean : 4.735	Mean :0.01905	Mean :0.1333	Mean : 2.296	Mean : 2.247	Mean : 409.3	Mean : 409.3	Mean : 33.834	Mean : 18.2866	Mean :0.58412	Mean :0.212197	Mean : 1.3603	Mean : 10.247	Mean :0.22186	Mean : 1.083	Mean : 1596541	Mean :3.890e+12	Mean :3.140e+18	Mean :2.733e+15	Mean :0.4863	Mean :0.06004	Mean :0.0018975	Mean : 0.055016	Mean :1.758e+09	Mean :5.771e+18	Mean :5.954e+19	Mean :1.691e+15	Mean :9.958e+14	Mean :2.667e+16	Mean : 0.52086	Mean : 0.082883	Mean : 0.69048	Mean :0.037880	Mean :0.026456	Mean : 0.289778	Mean : 4229.3	Mean : -0.01950	Mean :0.24592	Mean :0.43609	Mean :0.5465	Mean : 8.123	Mean : 4.546	Mean :2.992	Mean : 790175	Mean :9.707e+11	Mean :3.707e+17	Mean :7.566e+14	Mean :0.73756	Mean :0.14079	Mean :0.0071218	Mean : 0.31568	Mean :8.720e+08	Mean :1.296e+18	Mean :1.588e+19	Mean :5.004e+14	Mean :3.297e+14	Mean :7.180e+15	Mean : 1.36311	Mean : 0.8667	Mean : 8.417	Mean : 0.25421	Mean : 0.21323	Mean : 1.3539	Mean : 2285.83	Mean : -0.00879	Mean :0.24992	Mean :0.4380	Mean :0.54926	Mean : 7.765	Mean : 4.305	Mean :2.822	Mean : 42.261	Mean :26.967	Mean : 17.884	Mean : 29.020	Mean :15.311	Mean : 36.059	Mean : 32.70	Mean : 25.065	Mean :15.4944	Mean : 39.323	Mean : 47.960	Mean : 29.134	Mean : 43.356	Mean :18.601	Mean : 29.825	Mean : 44.981	Mean :1.4151	Mean : 38.696	Mean : 37.590	Mean :21.3019	Mean : 31.256	Mean :19.610	Mean :15.430	Mean : 23.090	Mean :11.389	Mean : 26.225	Mean : 25.582	Mean :17.592	Mean :13.3413	Mean : 28.745	Mean : 35.228	Mean :22.378	Mean : 32.490	Mean :15.186	Mean : 22.491	Mean : 33.110	Mean :1.4057	Mean : 29.320	Mean : 28.541	Mean :17.8863	Mean : 327.4	Mean : 327.4	Mean : 26.21	Mean : 15.792	Mean :0.6346	Mean :0.20289	Mean : 1.3574	Mean : 10.211	Mean :0.20986	Mean : 1.269	Mean : 1208495	Mean :2.357e+12	Mean :1.447e+18	Mean :1.738e+15	Mean :0.5154	Mean :0.06844	Mean :0.0022941	Mean : 0.123942	Mean :1.336e+09	Mean :3.471e+18	Mean :3.900e+19	Mean :1.108e+15	Mean :6.871e+14	Mean :1.734e+16	Mean : 0.68054	Mean : 0.147512	Mean : 1.8384	Mean : 0.102321	Mean : 0.087907	Mean : 0.51620	Mean : 3276.1	Mean : -0.06151	Mean :0.25337	Mean :0.4364	Mean :0.5518	Mean : 7.457	Mean : 4.105	Mean :2.687	Mean : 663248	Mean :7.264e+11	Mean :2.428e+17	Mean :5.961e+14	Mean :0.7377	Mean :0.14081	Mean :0.006911	Mean : 0.55646	Mean :7.330e+08	Mean :9.474e+17	Mean :1.225e+19	Mean :4.028e+14	Mean :2.740e+14	Mean :5.534e+15	Mean : 1.5971	Mean : 1.0461	Mean : 18.263	Mean : 0.50047	Mean : 0.46315	Mean : 2.2113	Mean : 1974.0	Mean : -0.03694	Mean :0.25746	Mean :0.4389	Mean :0.5548	Mean : 7.154	Mean : 3.909	Mean :2.553	Mean : 36.81	Mean :22.99	Mean : 16.471	Mean : 25.688	Mean :13.452	Mean : 31.07	Mean : 28.12	Mean : 21.664	Mean :13.751	Mean : 33.36	Mean : 41.15	Mean :24.59	Mean : 37.03	Mean :16.635	Mean : 25.663	Mean : 38.15	Mean :1.511	Mean : 32.60	Mean : 32.69	Mean :18.135	Mean : 28.725	Mean :17.674	Mean :14.756	Mean : 21.409	Mean :10.655	Mean : 23.938	Mean : 22.827	Mean :16.189	Mean :12.142	Mean : 25.75	Mean : 31.624	Mean :19.929	Mean : 28.98	Mean :14.192	Mean : 20.47	Mean : 29.45	Mean :1.503	Mean : 25.852	Mean : 26.148	Mean :15.74	Mean : 258.6	Mean : 258.6	Mean : 20.344	Mean : 13.545	Mean :0.6560	Mean :0.19303	Mean : 1.3270	Mean : 9.957	Mean :0.19767	Mean : 1.3	Mean : 914995	Mean :1.443e+12	Mean :6.885e+17	Mean :1.127e+15	Mean : 0.5217	Mean :0.07555	Mean :0.0027479	Mean : 0.17658	Mean :1.015e+09	Mean :2.117e+18	Mean :2.532e+19	Mean :7.402e+14	Mean :4.820e+14	Mean :1.121e+16	Mean : 0.94279	Mean : 0.8425	Mean : 29.93	Mean : 0.14931	Mean : 0.13113	Mean : 2.0277	Mean : 2543.0	Mean : 0.06812	Mean :0.25155	Mean :0.4196	Mean :0.5219	Mean : 6.684	Mean : 3.633	Mean :2.370	Mean : 550231	Mean :5.354e+11	Mean :1.568e+17	Mean : 4.686e+14	Mean : 0.7075	Mean :0.13749	Mean :0.0066783	Mean : 0.66448	Mean :6.089e+08	Mean :6.820e+17	Mean :9.168e+18	Mean : 3.240e+14	Mean :2.276e+14	Mean :4.145e+15	Mean : 2.3300	Mean : 15.139	Mean : 682.1	Mean : 0.63563	Mean : 0.61639	Mean : 16.521	Mean : 1693.2	Mean : 0.09351	Mean :0.25535	Mean :0.4219	Mean :0.5250	Mean : 6.427	Mean : 3.471	Mean :2.262	Mean : 31.55	Mean :19.386	Mean :14.794	Mean : 22.335	Mean :11.647	Mean : 26.397	Mean : 23.748	Mean :18.446	Mean :11.877	Mean : 27.93	Mean : 34.73	Mean :20.486	Mean : 31.15	Mean :14.578	Mean : 21.85	Mean : 31.892	Mean :1.504	Mean : 27.106	Mean : 28.046	Mean :15.209	Mean : 25.837	Mean :15.702	Mean :13.685	Mean : 19.415	Mean : 9.718	Mean : 21.40	Mean : 20.050	Mean :14.560	Mean :10.811	Mean : 22.706	Mean : 27.90	Mean :17.497	Mean : 25.441	Mean :12.944	Mean :18.305	Mean : 25.765	Mean :1.497	Mean : 22.450	Mean : 23.494	Mean :13.645	NA	NA	Mean :0	Mean :0.2	Mean :1.9	Mean :1.4	Mean :1	Mean :2.1801	Mean :-1.293e-10	Mean :0.12356	Mean :0.017697	Mean :-0.6744	Mean : 2.6089	Mean :2.8	Mean :4.05	Mean :0.5
‘{11C:B:367:0: 90.9}’ : 1	‘{12P:A:611:1: 16.7}’: 1	1nly 2PE 403 B: 4	2agd : 33	MG : 73	3rd Qu.: 906.5	E : 59	3rd Qu.:0.85076	3rd Qu.:0.00000	3rd Qu.:0.732913	3rd Qu.:0.00000	3rd Qu.:21.00	3rd Qu.:21.00	3rd Qu.:20.00	3rd Qu.:146.0	3rd Qu.:137.00	3rd Qu.:10.000	3rd Qu.: 2.000	3rd Qu.: 5.000	3rd Qu.:0.0000	3rd Qu.: 21.00	3rd Qu.:151.5	3rd Qu.:10.000	3rd Qu.: 2.000	3rd Qu.: 6.000	3rd Qu.:0.0000	3rd Qu.: 0.000	3rd Qu.: 35.00	3rd Qu.: 0.00000	3rd Qu.: 0.00000	3rd Qu.: 0.000	3rd Qu.: 0.00000	3rd Qu.: 0.0000	3rd Qu.:1.966	3rd Qu.: 0.0000	3rd Qu.: 0.000	3rd Qu.: 0.000	3rd Qu.: 43.00	3rd Qu.: 18.00	3rd Qu.: 0.0000	3rd Qu.: 2.00	3rd Qu.: 0.000	3rd Qu.: 0.00	3rd Qu.: 0.00	3rd Qu.: 0.000	3rd Qu.:0.0000000	3rd Qu.: 1.000	3rd Qu.: 0.000	3rd Qu.: 2.000	3rd Qu.:0.0000	3rd Qu.:0.25000	3rd Qu.: 2.000	3rd Qu.: 0.0000	3rd Qu.:0.0000	3rd Qu.: 4.000	3rd Qu.: 38.00	3rd Qu.: 2.000	3rd Qu.:2.000	3rd Qu.: 44.00	3rd Qu.: 0.000	3rd Qu.: 0.0000	3rd Qu.:10.000	3rd Qu.: 2	3rd Qu.: 854.38	3rd Qu.: 22.2985	3rd Qu.:0.02896	3rd Qu.:0.14090	3rd Qu.:0	3rd Qu.: 1.4996	3rd Qu.: 12.042	3rd Qu.:0.25159	3rd Qu.: 0.168	3rd Qu.: 7.000	3rd Qu.:0.00000	3rd Qu.:0.0000	3rd Qu.: 3.000	3rd Qu.: 3.000	3rd Qu.: 168.0	3rd Qu.: 168.0	3rd Qu.: 38.688	3rd Qu.: 21.9729	3rd Qu.:0.67121	3rd Qu.:0.233224	3rd Qu.: 1.4996	3rd Qu.: 12.042	3rd Qu.:0.24083	3rd Qu.: 1.000	3rd Qu.: 696730	3rd Qu.:1.040e+11	3rd Qu.:3.450e+15	3rd Qu.:7.061e+12	3rd Qu.:0.6023	3rd Qu.:0.07130	3rd Qu.:0.0017078	3rd Qu.: 0.032706	3rd Qu.:1.638e+08	3rd Qu.:3.399e+15	3rd Qu.:1.310e+16	3rd Qu.:4.317e+12	3rd Qu.:1.798e+12	3rd Qu.:6.005e+13	3rd Qu.: 0.59074	3rd Qu.: 0.035131	3rd Qu.: 0.19430	3rd Qu.:0.019454	3rd Qu.:0.008888	3rd Qu.: 0.188370	3rd Qu.: 4836.0	3rd Qu.: 0.74520	3rd Qu.:0.36218	3rd Qu.:0.62986	3rd Qu.:0.7307	3rd Qu.:10.444	3rd Qu.: 5.559	3rd Qu.:3.500	3rd Qu.: 302935	3rd Qu.:2.021e+10	3rd Qu.:3.584e+14	3rd Qu.:1.663e+12	3rd Qu.:0.94022	3rd Qu.:0.17908	3rd Qu.:0.0077478	3rd Qu.: 0.13241	3rd Qu.:6.710e+07	3rd Qu.:5.384e+14	3rd Qu.:2.410e+15	3rd Qu.:1.148e+12	3rd Qu.:5.763e+11	3rd Qu.:1.024e+13	3rd Qu.: 1.50092	3rd Qu.: 0.2253	3rd Qu.: 1.267	3rd Qu.: 0.08749	3rd Qu.: 0.04610	3rd Qu.: 0.7649	3rd Qu.: 2746.61	3rd Qu.: 0.77139	3rd Qu.:0.37270	3rd Qu.:0.6381	3rd Qu.:0.74054	3rd Qu.:10.029	3rd Qu.: 5.245	3rd Qu.:3.257	3rd Qu.: 56.641	3rd Qu.:33.978	3rd Qu.: 23.583	3rd Qu.: 38.838	3rd Qu.:20.440	3rd Qu.: 48.767	3rd Qu.: 45.23	3rd Qu.: 32.851	3rd Qu.:20.5132	3rd Qu.: 50.205	3rd Qu.: 64.107	3rd Qu.: 37.850	3rd Qu.: 58.411	3rd Qu.:25.746	3rd Qu.: 40.040	3rd Qu.: 60.131	3rd Qu.:1.5564	3rd Qu.: 52.509	3rd Qu.: 50.984	3rd Qu.:29.3362	3rd Qu.: 41.737	3rd Qu.:25.607	3rd Qu.:20.101	3rd Qu.: 31.419	3rd Qu.:15.103	3rd Qu.: 35.405	3rd Qu.: 36.197	3rd Qu.:23.070	3rd Qu.:18.8072	3rd Qu.: 37.108	3rd Qu.: 48.289	3rd Qu.:30.166	3rd Qu.: 44.802	3rd Qu.:20.096	3rd Qu.: 30.889	3rd Qu.: 44.369	3rd Qu.:1.5503	3rd Qu.: 39.929	3rd Qu.: 38.667	3rd Qu.:25.2114	3rd Qu.: 116.0	3rd Qu.: 116.0	3rd Qu.: 28.53	3rd Qu.: 19.122	3rd Qu.:0.7332	3rd Qu.:0.22237	3rd Qu.: 1.4996	3rd Qu.: 12.042	3rd Qu.:0.22576	3rd Qu.: 1.000	3rd Qu.: 454677	3rd Qu.:4.092e+10	3rd Qu.:9.234e+14	3rd Qu.:3.486e+12	3rd Qu.:0.6629	3rd Qu.:0.07968	3rd Qu.:0.0019825	3rd Qu.: 0.047327	3rd Qu.:1.003e+08	3rd Qu.:1.007e+15	3rd Qu.:4.857e+15	3rd Qu.:2.047e+12	3rd Qu.:9.320e+11	3rd Qu.:2.355e+13	3rd Qu.: 0.73328	3rd Qu.: 0.048737	3rd Qu.: 0.3113	3rd Qu.: 0.029483	3rd Qu.: 0.014087	3rd Qu.: 0.26616	3rd Qu.: 3566.0	3rd Qu.: 0.54183	3rd Qu.:0.38227	3rd Qu.:0.6449	3rd Qu.:0.7456	3rd Qu.: 9.760	3rd Qu.: 5.087	3rd Qu.:3.199	3rd Qu.: 215745	3rd Qu.:1.074e+10	3rd Qu.:1.223e+14	3rd Qu.:9.148e+11	3rd Qu.:0.9293	3rd Qu.:0.16747	3rd Qu.:0.006904	3rd Qu.: 0.15802	3rd Qu.:4.757e+07	3rd Qu.:2.388e+14	3rd Qu.:1.233e+15	3rd Qu.:6.098e+11	3rd Qu.:3.287e+11	3rd Qu.:5.477e+12	3rd Qu.: 1.5066	3rd Qu.: 0.2116	3rd Qu.: 1.312	3rd Qu.: 0.10607	3rd Qu.: 0.06186	3rd Qu.: 0.7679	3rd Qu.: 2390.2	3rd Qu.: 0.57337	3rd Qu.:0.39035	3rd Qu.:0.6513	3rd Qu.:0.7520	3rd Qu.: 9.415	3rd Qu.: 4.799	3rd Qu.:3.008	3rd Qu.: 49.87	3rd Qu.:29.18	3rd Qu.: 21.059	3rd Qu.: 34.543	3rd Qu.:18.186	3rd Qu.: 42.74	3rd Qu.: 39.92	3rd Qu.: 29.437	3rd Qu.:18.433	3rd Qu.: 43.31	3rd Qu.: 57.04	3rd Qu.:32.94	3rd Qu.: 51.28	3rd Qu.:23.114	3rd Qu.: 35.659	3rd Qu.: 52.10	3rd Qu.:1.728	3rd Qu.: 45.87	3rd Qu.: 44.90	3rd Qu.:25.898	3rd Qu.: 38.102	3rd Qu.:23.888	3rd Qu.:18.888	3rd Qu.: 28.201	3rd Qu.:14.408	3rd Qu.: 32.729	3rd Qu.: 33.268	3rd Qu.:21.486	3rd Qu.:17.473	3rd Qu.: 34.40	3rd Qu.: 44.126	3rd Qu.:27.694	3rd Qu.: 40.98	3rd Qu.:18.773	3rd Qu.: 28.14	3rd Qu.: 40.81	3rd Qu.:1.724	3rd Qu.: 36.434	3rd Qu.: 34.773	3rd Qu.:22.51	3rd Qu.: 77.0	3rd Qu.: 77.0	3rd Qu.: 21.400	3rd Qu.: 16.739	3rd Qu.:0.7961	3rd Qu.:0.21365	3rd Qu.: 1.4996	3rd Qu.: 12.042	3rd Qu.:0.20999	3rd Qu.: 1.0	3rd Qu.: 284910	3rd Qu.:1.613e+10	3rd Qu.:2.111e+14	3rd Qu.:1.329e+12	3rd Qu.: 0.6740	3rd Qu.:0.08241	3rd Qu.:0.0021248	3rd Qu.: 0.05751	3rd Qu.:5.369e+07	3rd Qu.:3.249e+14	3rd Qu.:1.604e+15	3rd Qu.:8.827e+11	3rd Qu.:4.264e+11	3rd Qu.:7.929e+12	3rd Qu.: 0.77278	3rd Qu.: 0.0590	3rd Qu.: 0.35	3rd Qu.: 0.03531	3rd Qu.: 0.01786	3rd Qu.: 0.2793	3rd Qu.: 2675.0	3rd Qu.: 0.33890	3rd Qu.:0.40493	3rd Qu.:0.6512	3rd Qu.:0.7507	3rd Qu.: 9.005	3rd Qu.: 4.622	3rd Qu.:2.983	3rd Qu.: 161124	3rd Qu.:5.097e+09	3rd Qu.:4.292e+13	3rd Qu.: 3.814e+11	3rd Qu.: 0.8879	3rd Qu.:0.14303	3rd Qu.:0.0056666	3rd Qu.: 0.14540	3rd Qu.:2.778e+07	3rd Qu.:7.848e+13	3rd Qu.:4.444e+14	3rd Qu.: 2.723e+11	3rd Qu.:1.512e+11	3rd Qu.:2.241e+12	3rd Qu.: 1.4266	3rd Qu.: 0.182	3rd Qu.: 1.2	3rd Qu.: 0.10500	3rd Qu.: 0.05847	3rd Qu.: 0.671	3rd Qu.: 2092.3	3rd Qu.: 0.38593	3rd Qu.:0.41212	3rd Qu.:0.6631	3rd Qu.:0.7566	3rd Qu.: 8.681	3rd Qu.: 4.366	3rd Qu.:2.817	3rd Qu.: 43.47	3rd Qu.:25.271	3rd Qu.:18.842	3rd Qu.: 30.300	3rd Qu.:16.188	3rd Qu.: 36.452	3rd Qu.: 34.188	3rd Qu.:24.972	3rd Qu.:15.762	3rd Qu.: 37.65	3rd Qu.: 48.64	3rd Qu.:28.197	3rd Qu.: 44.26	3rd Qu.:19.823	3rd Qu.: 30.86	3rd Qu.: 45.414	3rd Qu.:1.834	3rd Qu.: 39.104	3rd Qu.: 38.865	3rd Qu.:22.142	3rd Qu.: 34.788	3rd Qu.:22.350	3rd Qu.:16.698	3rd Qu.: 25.292	3rd Qu.:13.070	3rd Qu.: 28.92	3rd Qu.: 30.453	3rd Qu.:19.279	3rd Qu.:15.634	3rd Qu.: 31.309	3rd Qu.: 39.99	3rd Qu.:25.164	3rd Qu.: 36.887	3rd Qu.:17.179	3rd Qu.:24.710	3rd Qu.: 36.773	3rd Qu.:1.833	3rd Qu.: 33.057	3rd Qu.: 31.388	3rd Qu.:20.045	NA	NA	3rd Qu.:0	3rd Qu.:0.2	3rd Qu.:1.9	3rd Qu.:1.4	3rd Qu.:1	3rd Qu.:2.5000	3rd Qu.: 7.019e-11	3rd Qu.:0.14493	3rd Qu.:0.021005	3rd Qu.:-0.4797	3rd Qu.: 3.2321	3rd Qu.:2.8	3rd Qu.:4.05	3rd Qu.:0.5
‘{12P:A:611:1: 68.8}’ : 1	‘{12P:A:611:1: 20.2}’: 1	2awe BGM 2 C : 4	5chx : 32	ZN : 72	Max. :9002.0	F : 30	Max. :1.00000	Max. :0.92702	Max. :1.000000	Max. :1.00000	Max. :91.00	Max. :91.00	Max. :91.00	Max. :617.0	Max. :617.00	Max. :62.000	Max. :13.000	Max. :24.000	Max. :6.0000	Max. :104.00	Max. :694.0	Max. :69.000	Max. :13.000	Max. :35.000	Max. :6.0000	Max. :630.000	Max. :202.00	Max. :27.00000	Max. :17.00000	Max. :160.000	Max. :19.00000	Max. :191.0000	Max. :5.976	Max. :207.0000	Max. :91.000	Max. :121.000	Max. :1996.00	Max. :101.00	Max. :424.0000	Max. :69.00	Max. :633.000	Max. :56.00	Max. :109.00	Max. :60.000	Max. :0.1225906	Max. :520.000	Max. :92.000	Max. :84.000	Max. :1.0000	Max. :1.00000	Max. :430.000	Max. :36.0000	Max. :1.0000	Max. :31.000	Max. :320.00	Max. :39.000	Max. :4.000	Max. :668.00	Max. :1329.000	Max. :67.0000	Max. :21.000	Max. :35	Max. :11861.59	Max. :171.3310	Max. :0.24060	Max. :1.07858	Max. :0	Max. :27.1637	Max. :101.722	Max. :2.36216	Max. :22.768	Max. :44.000	Max. :3.00000	Max. :6.0000	Max. :19.000	Max. :18.000	Max. :114577.0	Max. :114577.0	Max. :304.672	Max. :170.1131	Max. :4.55446	Max. :5.242593	Max. :27.1637	Max. :101.722	Max. :6.64729	Max. :21.000	Max. :49345171	Max. :3.964e+14	Max. :7.138e+20	Max. :3.849e+17	Max. :2.7950	Max. :1.37240	Max. :0.0631439	Max. :11.295451	Max. :1.164e+11	Max. :1.977e+21	Max. :9.674e+21	Max. :2.842e+17	Max. :2.171e+17	Max. :3.258e+18	Max. :17.17392	Max. :25.897381	Max. :171.94542	Max. :7.900524	Max. :5.637239	Max. :28.417773	Max. :38084.0	Max. : 27.82149	Max. :0.98000	Max. :0.99665	Max. :0.9947	Max. :36.604	Max. :18.725	Max. :9.556	Max. :24714871	Max. :8.972e+13	Max. :6.329e+19	Max. :9.725e+16	Max. :5.62637	Max. :5.69279	Max. :0.5724013	Max. :197.49046	Max. :5.395e+10	Max. :3.508e+20	Max. :2.378e+21	Max. :7.447e+16	Max. :7.341e+16	Max. :9.857e+17	Max. :102.77749	Max. :818.9250	Max. :6758.274	Max. :171.31354	Max. :153.86227	Max. :350.5213	Max. :21264.14	Max. : 33.52991	Max. :0.97604	Max. :0.9971	Max. :0.99744	Max. :34.921	Max. :18.077	Max. :9.418	Max. :200.272	Max. :95.351	Max. :112.718	Max. :147.067	Max. :75.181	Max. :157.340	Max. :166.35	Max. :109.055	Max. :77.7094	Max. :156.359	Max. :236.712	Max. :104.851	Max. :210.215	Max. :97.166	Max. :130.948	Max. :203.545	Max. :2.0322	Max. :172.711	Max. :176.089	Max. :95.4995	Max. :151.339	Max. :71.249	Max. :87.309	Max. :113.920	Max. :61.664	Max. :124.889	Max. :125.789	Max. :84.724	Max. :69.5214	Max. :118.097	Max. :180.597	Max. :81.134	Max. :167.254	Max. :82.495	Max. :106.625	Max. :154.886	Max. :2.0189	Max. :136.019	Max. :136.376	Max. :74.6305	Max. :69202.0	Max. :69202.0	Max. :243.36	Max. :157.642	Max. :5.2154	Max. :5.59081	Max. :27.1637	Max. :101.722	Max. :6.68747	Max. :21.000	Max. :41656459	Max. :2.322e+14	Max. :2.507e+20	Max. :2.635e+17	Max. :3.5846	Max. :1.54427	Max. :0.0772914	Max. :25.736682	Max. :9.502e+10	Max. :1.397e+21	Max. :6.592e+21	Max. :1.983e+17	Max. :1.548e+17	Max. :2.350e+18	Max. :21.29922	Max. :27.912393	Max. :391.5346	Max. :26.972240	Max. :27.795944	Max. :63.83540	Max. :30420.0	Max. : 47.29435	Max. :0.98119	Max. :0.9944	Max. :0.9964	Max. :36.252	Max. :18.050	Max. :9.210	Max. :22944763	Max. :7.349e+13	Max. :4.557e+19	Max. :7.699e+16	Max. :8.0702	Max. :5.06822	Max. :0.500448	Max. :210.06811	Max. :4.982e+10	Max. :2.861e+20	Max. :2.039e+21	Max. :6.463e+16	Max. :6.386e+16	Max. :7.737e+17	Max. :105.3442	Max. :603.4435	Max. :7915.238	Max. :200.19069	Max. :193.60574	Max. :457.1927	Max. :19705.2	Max. : 59.38051	Max. :0.97713	Max. :0.9970	Max. :0.9981	Max. :34.925	Max. :17.391	Max. :9.391	Max. :179.70	Max. :85.22	Max. :105.998	Max. :136.665	Max. :70.892	Max. :145.89	Max. :154.74	Max. :100.360	Max. :75.577	Max. :146.07	Max. :222.48	Max. :97.06	Max. :193.13	Max. :94.893	Max. :121.148	Max. :190.28	Max. :2.815	Max. :159.04	Max. :160.46	Max. :88.668	Max. :148.035	Max. :68.588	Max. :84.675	Max. :110.876	Max. :58.878	Max. :121.465	Max. :120.155	Max. :82.675	Max. :70.120	Max. :113.48	Max. :173.577	Max. :77.430	Max. :159.45	Max. :80.681	Max. :103.29	Max. :149.41	Max. :2.816	Max. :129.619	Max. :132.934	Max. :73.50	Max. :43653.0	Max. :43653.0	Max. :211.432	Max. :145.835	Max. :6.2512	Max. :5.88611	Max. :27.1637	Max. :101.722	Max. :6.54564	Max. :16.0	Max. :35083862	Max. :1.447e+14	Max. :1.204e+20	Max. :1.817e+17	Max. :14.9298	Max. :2.07605	Max. :0.1034693	Max. :38.42210	Max. :7.655e+10	Max. :9.683e+20	Max. :4.644e+21	Max. :1.393e+17	Max. :1.152e+17	Max. :1.666e+18	Max. :227.93344	Max. :1057.2979	Max. :50815.39	Max. :41.25210	Max. :43.13876	Max. :2296.0034	Max. :26429.0	Max. : 46.94586	Max. :0.97955	Max. :0.9960	Max. :0.9957	Max. :35.864	Max. :17.098	Max. :8.998	Max. :21022273	Max. :6.008e+13	Max. :3.318e+19	Max. : 6.358e+16	Max. :33.3835	Max. :6.14077	Max. :0.3972859	Max. :206.08879	Max. :4.546e+10	Max. :2.268e+20	Max. :1.708e+21	Max. : 5.315e+16	Max. :5.340e+16	Max. :5.814e+17	Max. :1140.7211	Max. :26490.253	Max. :1272960.3	Max. :209.90438	Max. :212.44810	Max. :25694.954	Max. :18229.4	Max. : 46.01001	Max. :0.97577	Max. :0.9955	Max. :0.9964	Max. :34.824	Max. :16.494	Max. :9.406	Max. :170.30	Max. :79.432	Max. :99.810	Max. :127.583	Max. :67.889	Max. :135.315	Max. :144.685	Max. :93.840	Max. :73.417	Max. :136.63	Max. :208.22	Max. :90.235	Max. :180.72	Max. :90.180	Max. :112.70	Max. :177.408	Max. :3.303	Max. :146.882	Max. :151.666	Max. :83.086	Max. :144.452	Max. :65.969	Max. :81.130	Max. :107.877	Max. :56.996	Max. :117.63	Max. :114.398	Max. :80.259	Max. :70.185	Max. :108.859	Max. :167.34	Max. :74.859	Max. :150.965	Max. :77.797	Max. :99.660	Max. :144.076	Max. :3.303	Max. :122.797	Max. :129.291	Max. :71.998	NA	NA	Max. :0	Max. :0.2	Max. :1.9	Max. :1.4	Max. :1	Max. :3.6823	Max. : 4.449e-08	Max. :0.42034	Max. :0.176686	Max. :-0.1905	Max. :27.3234	Max. :2.8	Max. :4.05	Max. :0.5
(Other) :1988	(Other) :1989	(Other) :1965	(Other):1745	(Other):1291	NA	(Other): 111	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA

7. 50 najpopularniejszych wartości klasy res_name

Filtracja wczytanego i wstępnie przetworzonego zbioru o najpopularniejsze 50 wartości kolumny res_name

data_without_missing_val_distinct <- data_without_missing_val %>% distinct(pdb_code, res_name)
names_of_RES_NAMES_first_50 <- data_without_missing_val_distinct %>% group_by(res_name) %>% summarise(n = n()) %>% arrange(desc(n)) %>% head(50) %>% select(res_name)
names_of_RES_NAMES_first_50_vector <- unlist(names_of_RES_NAMES_first_50)
data_without_missing_val_50_most_popular <- data_without_missing_val  %>% filter(res_name %in% names_of_RES_NAMES_first_50_vector)

8. Korelacja między zmiennymi

Korelacja zbudowana dla tabeli zawierającej odfiltrowane wcześniej dane(delete_coulmn) oraz zawierające 50 najpopularniejszych wartości res_name. Użyta funkcja korelacji z atrybutem “pairwise.complete.obs” który pomija puste wartości Na.

data_without_missing_val_50_most_popular_without_not_cor_collumn <- data_without_missing_val_50_most_popular %>% select(-delete_coulmn)
data_corelation <- cor(data_without_missing_val_50_most_popular_without_not_cor_collumn, use = "pairwise.complete.obs")
ggcorrplot(data_corelation)

9. Określenie liczności każdej klasy res_name

Powyższy wykres ukazuje 10 klas res_name posiadających najwięcej przykładów.

res_name_number_of_data <- data_without_missing_val_distinct %>% group_by(res_name) %>% summarise(n = n()) %>% arrange(desc(n)) %>% head(10)
ggplot(res_name_number_of_data , aes(x = res_name, y = n, order = desc(n))) + geom_bar(stat="identity")

10. Wykresy liczby atomów i elektronów

Rozkład liczby atomów (local_res_atom_non_h_count) i elektronrów (local_res_atom_non_h_electron_sum)

rozk <- stack(data_without_missing_val_50_most_popular %>% select(local_res_atom_non_h_count, local_res_atom_non_h_electron_sum))
ggplot(rozk, aes(x = values)) + geom_density(aes(group=ind, colour=ind, fill=ind), alpha=0.3)

11. 10 klas z największą niezgodnością liczby atomów i 10 klas z największą niezgodnością liczby elektronów

Tabela przedtawiające 10 klas z największą niezgodnością liczby atomów

##     res_name     diffr    
##  NAG    :7   Min.   :1.0  
##  PG4    :2   1st Qu.:1.0  
##  FUC    :1   Median :1.0  
##  017    :0   Mean   :1.7  
##  11C    :0   3rd Qu.:1.0  
##  12P    :0   Max.   :6.0  
##  (Other):0

res_name	diffr
PG4	6
PG4	3
NAG	1
NAG	1
NAG	1
NAG	1
NAG	1
FUC	1
NAG	1
NAG	1

Tabela przedtawiająca 10 klas z największą niezgodnością liczby elektronów

##     res_name     diffr      
##  5R6    :4   Min.   :263.0  
##  VQ7    :3   1st Qu.:277.0  
##  15P    :2   Median :329.0  
##  DSL    :1   Mean   :315.8  
##  017    :0   3rd Qu.:329.0  
##  11C    :0   Max.   :374.0  
##  (Other):0

res_name	diffr
15P	374
15P	374
5R6	329
5R6	329
5R6	329
5R6	329
VQ7	277
VQ7	277
VQ7	277
DSL	263

12. Rozkład wartości wszystkich kolumn par01

Poniżej wykresy pokazujące rozkład wartości wszystkich kolumn zaczynających się od part_01 z zaznaczeniem (graficznym i liczbowym) średniej wartości.

par01 <- data_without_missing_val_50_most_popular %>% select(part_01_shape_segments_count:part_01_density_Z_4_0)
for (column_number in 1:length(par01)) {
  column <- par01[,column_number]
  mean_val <- mean(column)
  p <- ggplot() + aes(column) + geom_histogram(fill="red", col="black") + ylab(paste("number of ", names(par01[column_number]))) + xlab(names(par01[column_number])) + labs(title=paste("Histogram of ", names(par01[column_number]))) + geom_vline(xintercept=mean_val, color="blue", linetype="dotted", size=0.5)  + annotate("text", x = mean_val, y = -100, label = mean_val)
print(p)
}

13. Trafność regresji oszacowana na podstawie miar R^2 i RMSE

Miary R^2 i RMSE dla liczby atomów

RMSE dla atomów: 2.187909810^{{-14}
R}2 dla atomów: 1

RMSE dla elektronów: 1.759844510^{{-13}
R}2 dla elektronów: 1

14. Klasyfikator

#inTraining <- createDataPartition(y = data_without_missing_val$res_name,p = .75,list = FALSE)
#training <- data_without_missing_val[ inTraining,]
#testing  <- data_without_missing_val[-inTraining,]
#ctrl <- trainControl(method = "repeatedcv",number = 2,repeats = 5)
#Class <- data_without_missing_val %>% select(res_name)
#fit <- train(res_name  ~ .,data = training,method = "rf",trControl = ctrl,ntree = 10)